MF Hoedl, A Chesnokov, D Gryaznov… - Journal of Materials …, 2023 - pubs.rsc.org
Proton migration in the triple conducting perovskite BaFeO3− δ is investigated using first- principles density functional theory calculations. Oxygen-deficient BaFeO3− δ exhibits …
The impact of ordered vacancies on the dynamic stability of perovskites is investigated under the ab initio framework with a focus on cubic BaFeO 3 (P m 3¯ m) and vacancy …